cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid

C13H19NO3 — CID 106320857

IUPACcis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)C1CC=CCC1
InChIInChI=1S/C13H19NO3/c15-12(9-4-2-1-3-5-9)14-11-7-6-10(8-11)13(16)17/h1-2,9-11H,3-8H2,(H,14,15)(H,16,17)/t9?,10-,11+/m1/s1
InChIKeyFATHOZMTUOJFGD-ZOCYIJKUSA-N
MW237.30 g/mol
LogP1.71
Rot. Bonds3

About cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 106320857) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID106320857
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namecis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)C1CC=CCC1
InChIInChI=1S/C13H19NO3/c15-12(9-4-2-1-3-5-9)14-11-7-6-10(8-11)13(16)17/h1-2,9-11H,3-8H2,(H,14,15)(H,16,17)/t9?,10-,11+/m1/s1
InChIKeyFATHOZMTUOJFGD-ZOCYIJKUSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide
CID 71786222
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid
CID 177407584
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120976203
(1S)-N-[(1S,2R)-2-methylcyclohexyl]cyclohex-3-ene-1-carboxamide
CID 100842555
N-cyclopent-3-en-1-ylcyclopropanecarboxamide
CID 115696635
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42891784
3-(oxetan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550927
(1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide
CID 164632830

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid (CID 106320857) is cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)C1CC=CCC1.
What is the InChIKey of cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is FATHOZMTUOJFGD-ZOCYIJKUSA-N. The full InChI is InChI=1S/C13H19NO3/c15-12(9-4-2-1-3-5-9)14-11-7-6-10(8-11)13(16)17/h1-2,9-11H,3-8H2,(H,14,15)(H,16,17)/t9?,10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).